4-Methoxy-4-methyl-2-pentanone
TL;DR: 4-Methoxy-4-methyl-2-pentanone (CAS 107-70-0) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-4-methylpentan-2-one
Also Known As: Pentoxone, 4-METHOXY-4-METHYL-2-PENTANONE, 4-Methoxy-4-methylpentan-2-one, Pent-Oxone Solvent, 2-Pentanone, 4-methoxy-4-methyl-
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Melting Point | -30 °C |
| Boiling Point | 297 to 162.8 °C at 760 mmHg |
| Density | Relative density (water = 1): 0.89 |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 60.6 °C |
| Vapor Pressure | 2.2 [mmHg] |
Chemical Identifiers
| CAS Number | 107-70-0 |
|---|---|
| SMILES | CC(=O)CC(C)(C)OC |
| InChIKey | KOKPBCHLPVDQTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-4-methyl-2-pentanone (CAS 107-70-0), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 4-methoxy-4-methylpentan-2-one.
Chemical Property Profile of 4-Methoxy-4-methyl-2-pentanone
Property Insights of 4-Methoxy-4-methyl-2-pentanone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-4-methyl-2-pentanone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methoxy-4-methyl-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-4-methyl-2-pentanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methoxy-4-methyl-2-pentanone?
The CAS number of 4-Methoxy-4-methyl-2-pentanone is 107-70-0.
What is the molecular formula of 4-Methoxy-4-methyl-2-pentanone?
The molecular formula of 4-Methoxy-4-methyl-2-pentanone is C7H14O2.
What is the molecular weight of 4-Methoxy-4-methyl-2-pentanone?
The molecular weight of 4-Methoxy-4-methyl-2-pentanone is 130.10 g/mol.
Where can I buy 4-Methoxy-4-methyl-2-pentanone?
You can request a quote for 4-Methoxy-4-methyl-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-4-methyl-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-4-methyl-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.